SCHEMBL8633591

SCHEMBL8633591

O=S(=O)(Nc1n[nH]c(C(F)(F)F)c1-c1ccc(Br)cc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
LRRK2 Q5S007 1/20 0.40
HSD11B1 P28845 1/20 0.39
CCR4 P51679 1/20 0.39
EDNRB P24530 1/20 0.39
EDNRA P25101 1/20 0.39
MAPT P10636 2/20 0.38
MAPK1 P28482 2/20 0.38
BLM P54132 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
NAT1 P18440 1/20 0.38
IDO1 P14902 1/20 0.38
KDM1A O60341 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8629976 0.91 L3MBTL1 (0.51) L3MBTL1MEN1KMT2AKDM4EALDH1A1
SCHEMBL8631355 0.89 L3MBTL1 (0.44) L3MBTL1MEN1KMT2AKDM4ERXFP1
SCHEMBL8629853 0.88 MEN1 (0.45) L3MBTL1MEN1KMT2AKDM4EALDH1A1
SCHEMBL8635392 0.88 L3MBTL1 (0.49) L3MBTL1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL8632682 0.88 KDM1A (0.46) L3MBTL1MEN1KMT2AHTTKDM4E
SCHEMBL8628831 0.87 LRRK2 (0.50) L3MBTL1MEN1KMT2AKDM4EALDH1A1
SCHEMBL8633701 0.85 KMT2A (0.48) L3MBTL1MEN1KMT2AKDM4EALDH1A1
SCHEMBL8627990 0.85 HPGD (0.41) L3MBTL1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL8631696 0.85 SLC40A1 (0.42) L3MBTL1LRRK2EDNRBEDNRAMAPT
SCHEMBL8627699 0.83 MAPK14 (0.40) L3MBTL1MEN1KMT2AALDH1A1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5756530-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G. D. SEARLE & CO. (US) 1998-05-26 US disclosed